1-(4-methylsulfonylphenyl)-2-(4-pentylpyridin-1-ium-1-yl)ethanone bromide

Systemtic Name: 1-(4-methylsulfonylphenyl)-2-(4-pentylpyridin-1-ium-1-yl)ethanone bromide Openeye Name: 1-(4-methylsulfonylphenyl)-2-(4-pentylpyridin-1-ium-1-yl)ethanone bromide CAS Name: 1-(4-methylsulfonylphenyl)-2-(4-pentyl-1-pyridin-1-iumyl)ethanone bromide IUPAC Name: 1-(4-methylsulfonylphenyl)-2-(4-pentylpyridin-1-ium-1-yl)ethanone bromide Traditional Name: 2-(4-amylpyridin-1-ium-1-yl)-1-(4-mesylphenyl)ethanone bromide Formula: C19H24BrNO3S MolecularWeight: 426.36776

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=[N+](C=C1)CC(=O)C2=CC=C(C=C2)S(=O)(=O)C.[Br-]

Isomeric SMILES

CCCCCC1=CC=[N+](C=C1)CC(=O)C2=CC=C(C=C2)S(=O)(=O)C.[Br-]

InChI

InChI=1S/C19H24NO3S.BrH/c1-3-4-5-6-16-11-13-20(14-12-16)15-19(21)17-7-9-18(10-8-17)24(2,22)23;/h7-14H,3-6,15H2,1-2H3;1H/q+1;/p-1